3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide

C19H25N3O2S — CID 47052620

IUPAC3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNCc2ccsc2)c1
InChIInChI=1S/C19H25N3O2S/c23-19(4-6-22-7-9-24-10-8-22)21-18-3-1-2-16(12-18)13-20-14-17-5-11-25-15-17/h1-3,5,11-12,15,20H,4,6-10,13-14H2,(H,21,23)
InChIKeyKIRBBECIRZSHKQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.70
Rot. Bonds8

About 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide

3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide (PubChem CID 47052620) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide
PubChem CID47052620
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNCc2ccsc2)c1
InChIInChI=1S/C19H25N3O2S/c23-19(4-6-22-7-9-24-10-8-22)21-18-3-1-2-16(12-18)13-20-14-17-5-11-25-15-17/h1-3,5,11-12,15,20H,4,6-10,13-14H2,(H,21,23)
InChIKeyKIRBBECIRZSHKQ-UHFFFAOYSA-N
XLogP2.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide (CID 47052620) is 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide is O=C(CCN1CCOCC1)Nc1cccc(CNCc2ccsc2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide?
The InChIKey is KIRBBECIRZSHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-19(4-6-22-7-9-24-10-8-22)21-18-3-1-2-16(12-18)13-20-14-17-5-11-25-15-17/h1-3,5,11-12,15,20H,4,6-10,13-14H2,(H,21,23).
What are the key properties of 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide?
3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 47052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).